%chk=000206358.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206358

0 1
O -2.922496 -0.430774 -2.355292
N 0.658858 0.790486 -0.615269
N 3.384328 -0.087095 -0.216386
C -0.827609 0.696013 -0.763803
C 1.383192 0.021943 -1.677764
C 1.147042 0.382098 0.739631
C 2.894384 0.310654 -1.573214
C 2.656682 0.678172 0.844264
C -1.388688 -0.733297 -0.553540
C -1.466455 1.744675 0.136721
C 4.786726 -0.272087 -0.051339
C -2.715263 -0.909763 -1.261782
C -1.023382 3.074338 0.012271
C -2.487845 1.449427 1.047631
C 5.368559 -0.243751 1.238318
C 5.601918 -0.612526 -1.156787
C -3.761451 -1.702854 -0.541545
C -1.592585 4.085150 0.787247
C -3.059398 2.466409 1.821301
C -2.614965 3.783933 1.694706
C 6.716264 -0.554653 1.406088
C 6.947509 -0.920064 -0.966930
C 7.516485 -0.891511 0.310003
C -3.439944 -2.866976 0.169447
C -5.093131 -1.268419 -0.611081
C -4.447083 -3.586322 0.817886
C -6.096279 -1.985186 0.047308
C -5.773529 -3.143276 0.761456
H -1.063303 0.993967 -1.831708
H 1.015311 0.360675 -2.671126
H 1.205561 -1.075182 -1.615906
H 0.961495 -0.690599 0.963111
H 0.602507 0.981552 1.502963
H 3.431689 -0.278970 -2.350677
H 3.089865 1.387562 -1.777101
H 2.836814 1.772967 0.753407
H 3.021408 0.362541 1.847995
H -1.459551 -0.967061 0.525630
H -0.675736 -1.479015 -0.968914
H -0.220594 3.309255 -0.689132
H -2.855812 0.431478 1.166157
H 4.764518 0.006904 2.107819
H 5.180361 -0.650507 -2.159085
H -1.241983 5.110647 0.684153
H -3.855377 2.225375 2.523682
H -3.060863 4.573029 2.296038
H 7.150385 -0.532535 2.405577
H 7.562690 -1.184372 -1.826975
H 8.566303 -1.129109 0.448908
H -2.410836 -3.221637 0.210748
H -5.339055 -0.372946 -1.186910
H -4.199692 -4.493814 1.366550
H -7.129452 -1.643977 -0.002619
H -6.556100 -3.704276 1.271669


%chk=000206358-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000206358

0 1
O -2.772405 -0.601748 -2.260994
N 0.673356 0.664765 -0.463215
N 3.472880 -0.013718 -0.269266
C -0.808458 0.642061 -0.540214
C 1.358042 -0.023276 -1.574347
C 1.256890 0.262886 0.835367
C 2.864543 0.303125 -1.576194
C 2.752995 0.615387 0.863762
C -1.437511 -0.770226 -0.250508
C -1.420226 1.764687 0.316712
C 4.873844 -0.225868 -0.184080
C -2.711993 -1.017312 -1.062488
C -0.729483 2.999575 0.437183
C -2.689000 1.642072 0.937078
C 5.476144 -0.649536 1.041341
C 5.728278 -0.068269 -1.318248
C -3.868481 -1.775845 -0.469054
C -1.285811 4.075584 1.160848
C -3.251384 2.719644 1.660354
C -2.552098 3.940941 1.778191
C 6.858626 -0.904544 1.120947
C 7.111019 -0.337205 -1.228054
C 7.694257 -0.755438 -0.011842
C -3.825800 -2.382130 0.816351
C -5.049432 -1.906593 -1.252900
C -4.939547 -3.098686 1.305981
C -6.161236 -2.616862 -0.762087
C -6.109846 -3.215392 0.520965
H -1.058596 0.859525 -1.600047
H 0.915043 0.307360 -2.531480
H 1.246828 -1.136538 -1.512797
H 1.144028 -0.834572 1.019070
H 0.739134 0.807413 1.645171
H 3.344949 -0.310691 -2.357408
H 3.004779 1.377564 -1.839819
H 2.855991 1.724031 0.814444
H 3.185484 0.279382 1.818274
H -1.589346 -0.921317 0.830130
H -0.708990 -1.537307 -0.588199
H 0.250241 3.089795 -0.044098
H -3.261024 0.711390 0.857363
H 4.859588 -0.810868 1.931420
H 5.325717 0.286941 -2.271192
H -0.734634 5.019713 1.241380
H -4.235299 2.602638 2.128875
H -2.986598 4.775528 2.339984
H 7.284564 -1.235307 2.075640
H 7.737285 -0.203466 -2.118141
H 8.768108 -0.958362 0.054392
H -2.925857 -2.311222 1.435467
H -5.061599 -1.439877 -2.243359
H -4.895428 -3.565672 2.295861
H -7.066179 -2.707647 -1.372647
H -6.973954 -3.769817 0.903929


